Glycoside
GD120169
Name:
3,5-diamino-6-{[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}cyclohexane-1,2,4-triolFormula:
C12H26O7N4Smiles:
NCC1OC(OC2C(N)C(O)C(N)C(O)C2O)C(N)C(O)C1OAglycone:
NC1C(O)C(N)C(O)C(O)C1OSugarmoiety:
NCC1OC(O)C(N)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 2 |
| HBD: | 13 | FractionCSP3: | 1.0 |
| AlogP: | -6.14 | Num_rotatable_bonds: | 3 |
| MolWt: | 338.36 | Num_heavy_atoms: | 23 |
| TPSA: | 223.69 | NumAromaticRings: | 0 |
Unique Aglycone
AD44884
Formula: C6H14O4N2
Smiles:
NC1C(O)C(N)C(O)C(O)C1O| HBA: | 6 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 1.0 |
| AlogP: | -3.9 | Num_rotatable_bonds: | 0 |
| MolWt: | 178.19 | Num_heavy_atoms: | 12 |
| TPSA: | 132.96 | NumAromaticRings: | 0 |
